D466-0500 Screening compound: N~2~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylmethyl]-4-methoxyphenyl}-2-thiophenecarboxamide

D466-0500 Screening compound: N~2~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylmethyl]-4-methoxyphenyl}-2-thiophenecarboxamide
D466-0500 Screening compound: N~2~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylmethyl]-4-methoxyphenyl}-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0500
N~2~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylmethyl]-4-methoxyphenyl}-2-thiophenecarboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D466-0500

Molecular Formula

C23H22N4O2S (C23 H22 N4 O2 S)

Compound Name

N~2~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylmethyl]-4-methoxyphenyl}-2-thiophenecarboxamide

IUPAC name

N-[4-methoxy-3-({1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-11-yl}methyl)phenyl]thiophene-2-carboxamide

SMILES

COc(cc1)c(CN2Cc3nc(cccc4)c4n3CC2)cc1NC(c1cccs1)=O

InChI

InChI=1S/C23H22N4O2S/c1-29-20-9-8-17(24-23(28)21-7-4-12-30-21)13-16(20)14-26-10-11-27-19-6-3-2-5-18(19)25-22(27)15-26/h2-9,12-13H,10-11,14-15H2,1H3,(H,24,28)

InChI Key

HXPCJOKPVYYQTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.827

Distribution Coefficient, logD

3.789

Water Solubility, LogSw

-3.96

Polar Surface Area

46.654

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D466-0500 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D466-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0500?
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What is the minimum amount of D466-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0500
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D466-0500 available by request